(2R)-2-(dimethylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(dimethylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(dimethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(dimethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(dimethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-2-(dimethylammonio)-4-keto-butyrate Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)[C@H](CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H21N3O3/c1-21(2)16(18(23)24)12-17(22)20-15-10-8-14(9-11-15)19-13-6-4-3-5-7-13/h3-11,16,19H,12H2,1-2H3,(H,20,22)(H,23,24)/t16-/m1/s1